Chemical Properties of Iminostilbene (CAS 256-96-2)

InChI

InChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H

InChI Key

LCGTWRLJTMHIQZ-UHFFFAOYSA-N

Formula

C14H11N

SMILES

C1=Cc2ccccc2Nc2ccccc21

Molecular Weight¹

193.24

CAS

256-96-2

Other Names

• 5H-Dibenz[b,f]azepine
• Dibenz(b,f)azepine
• Stilbene, 2,2'-imino-
• 2,2'-Iminostilbene
• 2,3,6,7-Dibenzazepine
• 5-Azadibenzo(a,e)cycloheptatriene
• 5H-Dibenzo(b,f)azepine
• NSC 123458
• o,o'-Iminostilbene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	323.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.20	kJ/mol	Joback Calculated Property
IE	6.78	eV	NIST
log10WS	-4.52		Relay (1.0) Calculated Property
logPoct/wat	3.914		Crippen Calculated Property
McVol	155.420	ml/mol	McGowan Calculated Property
Inp	[1985.00; 2021.00]
Inp	2021.00		NIST
Inp	1985.00		NIST
Inp	1985.00		NIST
Inp	2021.00		NIST
Tboil	625.96	K	Relay (1.0) Calculated Property
Tfus	437.03	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[177.99; 471.47]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-8.05300e+01
Coefficient B			1.16500e+00
Coefficient C			-8.68400e-04
Coefficient D			2.55400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	177.99	J/mol×K	273.00	Calculated Property
Cp,gas	234.24	J/mol×K	353.78	Calculated Property
Cp,gas	282.70	J/mol×K	434.56	Calculated Property
Cp,gas	324.17	J/mol×K	515.33	Calculated Property
Cp,gas	359.46	J/mol×K	596.11	Calculated Property
Cp,gas	389.37	J/mol×K	676.89	Calculated Property
Cp,gas	414.72	J/mol×K	757.67	Calculated Property
Cp,gas	436.32	J/mol×K	838.44	Calculated Property
Cp,gas	454.97	J/mol×K	919.22	Calculated Property
Cp,gas	471.47	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Iminostilbene.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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